| SpectraBase Compound ID | 6HA6Q0uRW6E |
|---|---|
| InChI | InChI=1S/C18H12O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H |
| InChIKey | VXFDOYXVHRYCGS-UHFFFAOYSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C18H12O |
| Exact Mass | 244.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3BQio1LF9Dg |
|---|---|
| Name | 6-Chrysenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.088815005 u |
| Formula | C18H12O |
| InChI | InChI=1S/C18H12O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H |
| InChIKey | VXFDOYXVHRYCGS-UHFFFAOYSA-N |
| Molecular Weight | 244.293 g/mol |
| SMILES | C=12C(C=CC3=C2C=C(C2=C3C=CC=C2)O)=CC=CC1 |